2-methyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol;1-(4-propan-2-ylcyclohexyl)ethanol

C24H48O2 — CID 139577549

IUPAC2-methyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol;1-(4-propan-2-ylcyclohexyl)ethanol
SMILESCC(C)C1CCC(C(C)O)CC1.CC(CO)CCC1CCC(C)C1(C)C
InChIInChI=1S/C13H26O.C11H22O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4;1-8(2)10-4-6-11(7-5-10)9(3)12/h10-12,14H,5-9H2,1-4H3;8-12H,4-7H2,1-3H3
InChIKeyWWJHQSQTAYMPMO-UHFFFAOYSA-N
MW368.65 g/mol
LogP6.30
Rot. Bonds6

About 2-methyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol;1-(4-propan-2-ylcyclohexyl)ethanol

2-methyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol;1-(4-propan-2-ylcyclohexyl)ethanol (PubChem CID 139577549) has the molecular formula C24H48O2 and a molecular weight of 368.65 g/mol. Its IUPAC name is 2-methyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol;1-(4-propan-2-ylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-methyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol;1-(4-propan-2-ylcyclohexyl)ethanol
PubChem CID139577549
Molecular FormulaC24H48O2
Molecular Weight368.65 g/mol
Exact Mass368.37
IUPAC Name2-methyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol;1-(4-propan-2-ylcyclohexyl)ethanol
SMILESCC(C)C1CCC(C(C)O)CC1.CC(CO)CCC1CCC(C)C1(C)C
InChIInChI=1S/C13H26O.C11H22O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4;1-8(2)10-4-6-11(7-5-10)9(3)12/h10-12,14H,5-9H2,1-4H3;8-12H,4-7H2,1-3H3
InChIKeyWWJHQSQTAYMPMO-UHFFFAOYSA-N
XLogP6.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol;1-(4-propan-2-ylcyclohexyl)ethanol?
The IUPAC name of 2-methyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol;1-(4-propan-2-ylcyclohexyl)ethanol (CID 139577549) is 2-methyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol;1-(4-propan-2-ylcyclohexyl)ethanol.
What is the SMILES notation for 2-methyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol;1-(4-propan-2-ylcyclohexyl)ethanol?
The canonical SMILES for 2-methyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol;1-(4-propan-2-ylcyclohexyl)ethanol is CC(C)C1CCC(C(C)O)CC1.CC(CO)CCC1CCC(C)C1(C)C.
What is the InChIKey of 2-methyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol;1-(4-propan-2-ylcyclohexyl)ethanol?
The InChIKey is WWJHQSQTAYMPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O.C11H22O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4;1-8(2)10-4-6-11(7-5-10)9(3)12/h10-12,14H,5-9H2,1-4H3;8-12H,4-7H2,1-3H3.
What are the key properties of 2-methyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol;1-(4-propan-2-ylcyclohexyl)ethanol?
2-methyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol;1-(4-propan-2-ylcyclohexyl)ethanol has a molecular weight of 368.65 g/mol, XLogP of 6.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,3-trimethylcyclopentyl)butan-1-ol;1-(4-propan-2-ylcyclohexyl)ethanol is sourced from PubChem (CID 139577549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).